CID 9855

408-16-2

Structural Information

Molecular Formula
C7H15FO
SMILES
C(CCCO)CCCF
InChI
InChI=1S/C7H15FO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
BZIZKLZGQRAKFR-UHFFFAOYSA-N
Compound name
7-fluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

134.11069 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11797 129.5
[M+Na]+ 157.09991 135.9
[M-H]- 133.10341 126.7
[M+NH4]+ 152.14451 150.8
[M+K]+ 173.07385 134.6
[M+H-H2O]+ 117.10795 124.2
[M+HCOO]- 179.10889 150.6
[M+CH3COO]- 193.12454 172.3
[M+Na-2H]- 155.08536 135.0
[M]+ 134.11014 129.5
[M]- 134.11124 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe